General Information of the Compound
| Compound ID |
CP0304737
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[3-[(2-thiophen-2-ylquinazolin-4-yl)amino]phenyl]acetamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H16N4OS
|
||||||||||||||||||
| Molecular Weight |
360.442
|
||||||||||||||||||
| Canonical SMILES |
CC(=O)Nc1cccc(Nc2nc(nc3ccccc23)-c2cccs2)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H16N4OS/c1-13(25)21-14-6-4-7-15(12-14)22-19-16-8-2-3-9-17(16)23-20(24-19)18-10-5-11-26-18/h2-12H,1H3,(H,21,25)(H,22,23,24)
Show/Hide
|
||||||||||||||||||
| InChIKey |
CMIZQGPTGPSAMK-UHFFFAOYSA-N
|
||||||||||||||||||
| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||
Map of Molecular Bioactivity Related to the Compound
|
Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
|
|---|
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01546, ATP-dependent translocase ABCB1
Protein ID: PT02718, Broad substrate specificity ATP-binding cassette transporter ABCG2
Protein ID: PT06109, Geminin
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic